5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione

C6H8N2O3 — CID 12598279

IUPAC5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h2H2,1H3,(H3,7,8,9,10,11)
InChIKeyYZVWMDRPMMSUCO-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.67
Rot. Bonds1

About 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 12598279) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID12598279
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h2H2,1H3,(H3,7,8,9,10,11)
InChIKeyYZVWMDRPMMSUCO-UHFFFAOYSA-N
XLogP-0.67
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Substituted-6-chlorouracil, 5a
CID 11829946
5-Methylbarbituride
CID 25203833
6-amino-5-ethyl-1H-pyrimidine-2,4-dione
CID 44321747
6-Thymol
CID 676413
pyrimidine-2,4(1H,3H)-dione, 5-allyl-6-hydroxy-
CID 54351342
6-amino-5-ethyl-1-methylpyrimidine-2,4(1H,3H)-dione
CID 816901
5-(1-Hydroxyethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1391800
6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
CID 28630681
5-Ethyl-2-mercapto-4,6-pyrimidinediol
CID 3410065
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
6-amino-5-propylpyrimidine-2,4(1H,3H)-dione
CID 816905
6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 14269678

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione (CID 12598279) is 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione is CCc1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is YZVWMDRPMMSUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h2H2,1H3,(H3,7,8,9,10,11).
What are the key properties of 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 156.14 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12598279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).